SCHEMBL7148773

SCHEMBL7148773

O=C(O)OC1=Cc2cc(S(=O)(=O)NCCc3ccccc3)ccc2OC1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 4/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KCNA5 P22460 1/20 0.42
SGMS1 Q86VZ5 1/20 0.42
PRMT1 Q99873 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL214099 0.85 PTGS2 (0.54) AKR1C3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL6093446 0.85 PTGS2 (0.54) AKR1C3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL29528338 0.85 PTGS2 (0.54) AKR1C3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL7142073 0.83 PTGS2 (0.41) LMNA
SCHEMBL7148454 0.83 PDK1 (0.45) ALDH1A1MEN1KMT2ALMNA
SCHEMBL7144308 0.82 PTGS2 (0.43)
SCHEMBL7140451 0.81 MEN1 (0.46) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL7145053 0.80 PTGS2 (0.42) ALDH1A1LMNA
SCHEMBL7140517 0.78 PTGS2 (0.46)
SCHEMBL7143166 0.78 PTGS2 (0.43)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed